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Physical Review B, ISSN 0163-1829, 1993, Volume 47, Issue 13, pp. 7720 - 7731
We use the local spin-density approximation (LSDA) to investigate the phase stability and physical properties of stoichiometric wustite at high pressure.... 
INDUCED BREATHING MODEL | PHYSICS, CONDENSED MATTER | SPECIAL POINTS | ELASTIC PROPERTIES | ALKALINE-EARTH OXIDES | INDUCED METALLIZATION | BAND THEORY | GROUND-STATE PROPERTIES | BRILLOUIN-ZONE | MOTT INSULATORS | ELECTRONIC-STRUCTURE
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 1993, Volume 99, Issue 12, pp. 9962 - 9971
A statistical mechanical method to evaluate the energy of formation of water clusters attached to a foreign particle surface is described, with the binding... 
SPECTROSCOPY | H2O | DIMER | AM1 | SILICON | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MNDO | MOTT INSULATOR MODEL | SI-(2X1) SURFACE | ENERGIES
Journal Article
Physica C: Superconductivity and its applications, ISSN 0921-4534, 1993, Volume 217, Issue 3, pp. 381 - 404
Recent theoretical advances in the superconductivity of the cuprates have found that (1) Fermi surface nesting is enhanced in Luttinger liquids over... 
DENSITY WAVES | PHYSICS, APPLIED | HIGH-TC SUPERCONDUCTIVITY | FERMI-SURFACE | STRUCTURAL PHASE-TRANSITIONS | MOTT TRANSITION | VALENCE-BOND STATE | BAND-STRUCTURE | VANHOVE SINGULARITY | HUBBARD-MODEL | HIGH-TEMPERATURE SUPERCONDUCTORS
Journal Article
Journal of Physics and Chemistry of Solids, ISSN 0022-3697, 1993, Volume 54, Issue 10, pp. 1161 - 1164
Photoconductivity, σ (ω), and optical conductivity, σ(ω), are compared for insulating YBa Cu O (x<0.4) for h{stroke}ω = 0.6-3.3 eV. With x≈0, there is an... 
photoconductivity | electronic structure | Fermi glass | insulating YBa | Mott-Hubbard insulator
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 08/1993, Volume 5, Issue 34, pp. 6253 - 6262
The gauge theoretic approach to the t-J model provides a tool to investigate its electromagnetic properties and hence those of the cuprate superconductor,... 
MAGNETORESISTANCE | TRANSITION | PHYSICS, CONDENSED MATTER | TRANSPORT | VALENCE-BOND STATE | DOPED MOTT INSULATOR | MODEL
Journal Article
Journal of the Physical Society of Japan, ISSN 0031-9015, 1993, Volume 62, Issue 8, pp. 2557 - 2560
Two-dimensional Hubbard model with both nearest- and next-nearest-neighbor transfers is studied. A singularity in the charge susceptibility at the Mott... 
universality | strong correlation | charge susceptibility | mass singularity | Hubbard model | Mott transition | quantum Monte Carlo | metal-insulator transition | Charge susceptibility | Metal-insulator transition | Strong correlation | Quantum Monte Carlo | Mass singularity | Universality
Journal Article
Japanese journal of applied physics. Supplement, ISSN 0021-4922, 12/1993, Volume 32, Issue 3, pp. 209 - 211
The Ti3+ (3d1) based oxide compounds are mostly Mott-Hubbard insulators or barely metallic due to the strong correlation between 3d electrons. With use of... 
Perovskite | Mott transition | Titanium oxide | Carrier-doping | Metal-insulator transition | METAL-INSULATOR TRANSITION | PHYSICS, APPLIED | TITANIUM OXIDE | INSULATOR | MOTT TRANSITION | GAP | PEROVSKITE | CARRIER-DOPING
Journal Article
Journal of Physics and Chemistry of Solids, ISSN 0022-3697, 1993, Volume 54, Issue 10, pp. 1161 - 1164
Photoconductivity, σ ph(ω), and optical conductivity, σ(ω), are compared for insulating YBa 2Cu 3O 6+x (x<0.4) for ħω = 0.6−3.3 eV. With x≈0, there is an... 
photoconductivity | Fermi glass | insulating YBa 2Cu 3O 6+x electronic structure | Mott-Hubbard insulator
Journal Article
Philosophical Magazine A, ISSN 0141-8610, 10/1993, Volume 68, Issue 4, pp. 653 - 666
Ab initio Hartree-Fock calculations are reported of the electronic structures of CaO, VO, MnO and NiO. They are found to be essentially ionic in nature with... 
PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | OXIDE | METALLURGY & METALLURGICAL ENGINEERING | EXTENDED BASIS SET | LIXNI1-XO | BAND | MATERIALS SCIENCE | LITHIUM | MOTT INSULATORS | ELECTRONIC-STRUCTURE
Journal Article
Physical Review B, ISSN 0163-1829, 1993, Volume 48, Issue 20, pp. 15086 - 15091
Computational efficiency for the simulation of bulk crystals and surfaces is highly desirable. In an effort to study semiconductor crystals, we present a... 
OXIDATION | HYDROGEN | PHYSICS, CONDENSED MATTER | MOLECULAR CLUSTERS | CHEMISORPTION | MNDO PARAMETERS | DIMER | RECONSTRUCTION | MOTT INSULATOR MODEL | CLUSTER CALCULATIONS
Journal Article
International Journal of Modern Physics C, ISSN 0129-1831, 04/1993, Volume 4, Issue 2, pp. 417 - 424
An ab-initio implementation of self-interaction corrections (SIC) within local spin density (LSD) electronic structure calculations of solids is presented. The... 
STATES | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | BAND | FUNCTIONAL FORMALISM | PHYSICS, MATHEMATICAL | MOTT INSULATORS
Journal Article
PHYSICAL REVIEW B, ISSN 2469-9950, 05/1993, Volume 47, Issue 18, pp. 12051 - 12058
We study the properties of a two-dimensional spinless particle moving in a random magnetic field. This problem arises in the context of a modern theory of... 
PHYSICS, CONDENSED MATTER | GAUGE-THEORY | PHYSICS, APPLIED | HIGH-TC SUPERCONDUCTIVITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | VALENCE-BOND STATE | SYSTEMS | FLUX | DOPED MOTT INSULATOR | ANDERSON LOCALIZATION | 2 DIMENSIONS
Journal Article
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, ISSN 0031-9015, 08/1993, Volume 62, Issue 8, pp. 2557 - 2560
Two-dimensional Hubbard model with both nearest- and next-nearest-neighbor transfers is studied. A singularity in the charge susceptibility at the Mott... 
QUANTUM MONTE-CARLO | UNIVERSALITY | METAL-INSULATOR-TRANSITION | PHYSICS, MULTIDISCIPLINARY | MASS SINGULARITY | CHARGE SUSCEPTIBILITY | MOTT TRANSITION | SUSCEPTIBILITY | HUBBARD MODEL | METAL-INSULATOR TRANSITION | STRONG CORRELATION | SIMULATIONS | LATTICE
Journal Article
International Journal of Modern Physics B, ISSN 0217-9792, 08/1993, Volume 7, Issue 18, pp. 3281 - 3311
We show how it is possible to include the constraint of single site-occupancy in the large U limit of the Hubbard model at half-filling by means of a local... 
PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | SUPERCONDUCTIVITY | SQUARE-LATTICE | SPIN-1/2 HEISENBERG-ANTIFERROMAGNET | DIMENSIONAL QUANTUM ANTIFERROMAGNETS | DOPED MOTT INSULATORS | PHYSICS, MATHEMATICAL | LARGE-N LIMIT | T-J-MODEL | MONTE-CARLO | WAVE-FUNCTIONS | VALENCE-BOND STATE
Journal Article
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, ISSN 0022-3697, 10/1993, Volume 54, Issue 10, pp. 1161 - 1164
Photoconductivity, sigma(ph)(omega), and optical conductivity, sigma(omega), are compared for insulating YBa2Cu36+x (x<0.4) for HomegaBAR=0.6-3.3 eV. With x... 
PHOTOCONDUCTIVITY | PHYSICS, CONDENSED MATTER | FERMI GLASS | SUPERCONDUCTIVITY | EXCITATIONS | ELECTRONIC STRUCTURE | SINGLE-CRYSTALS | YBA2CU3O7-DELTA | TRANSIENT PHOTOINDUCED CONDUCTIVITY | MOTT-HUBBARD INSULATOR | INSULATING YBA2CU3O6+X | CHEMISTRY | METALLIC STATE
Journal Article
Journal of Electronic Materials, ISSN 0361-5235, 10/1993, Volume 22, Issue 10, pp. 1199 - 1203
Journal Article
JOURNAL OF ELECTRONIC MATERIALS, ISSN 0361-5235, 10/1993, Volume 22, Issue 10, pp. 1199 - 1203
We have carried out a detailed study of the relationship between the semiconducting, the superconducting, and the metallic region in the system... 
SYSTEM | MOTT CRITERION | OXIDE | Y1BA2CU3OY-LIKE STRUCTURE | MATERIALS SCIENCE | RESISTIVITY | STRONTIUM | YTTRIUM | ENGINEERING, ELECTRICAL & ELECTRONIC | METAL-INSULATOR TRANSITION | TC(ZERO) | (TL,PB)-1212 | HALL EFFECT | BULK SUPERCONDUCTIVITY
Journal Article
Zeitschrift für Physik. B: Condensed Matter, ISSN 0722-3277, 11/1993, Volume 92, Issue 3, pp. 353 - 362
Thermodynamic and dynamic properties of the one and two-dimensional simplified Hubbard model are studied. At zero temperature and half filling, no... 
QUANTUM MONTE-CARLO | SUPERCONDUCTIVITY | GROUND-STATE | TEMPERATURE | ELECTRON MODEL | INFINITE DIMENSIONS | MOTT TRANSITION | FERMIONS | FALICOV-KIMBALL MODEL | SPECTRAL WEIGHT FUNCTION | PHYSICS, CONDENSED MATTER
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 11/1993, Volume 48, Issue 20, pp. 14868 - 14883
The self-consistent cluster-embedding method is discussed theoretically. A definition of the total energy for an embedded cluster has been introduced. The... 
PHYSICS, CONDENSED MATTER | PHOTOEMISSION | LA2-XSRXCUO4 | BAND THEORY | ABSORPTION | IMPURITIES | MOTT INSULATORS | TRANSITION-METAL MONOXIDES
Journal Article
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